3-(3-(4-Isopropylphenoxy)-2-oxopyrrolidin-1-yl)benzoic acid
TL;DR: 3-(3-(4-Isopropylphenoxy)-2-oxopyrrolidin-1-yl)benzoic acid (CAS 649773-82-0) is a chemical compound with molecular formula C20H21NO4 and molecular weight 339.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-oxo-3-(4-propan-2-ylphenoxy)pyrrolidin-1-yl]benzoic acid
Also Known As: 3-(3-(4-isopropylphenoxy)-2-oxopyrrolidin-1-yl)benzoic acid, 3-[2-oxo-3-(4-propan-2-ylphenoxy)pyrrolidin-1-yl]benzoic Acid, 3-{2-Oxo-3-[4-(propan-2-yl)phenoxy]pyrrolidin-1-yl}benzoic acid, Benzoic acid, 3-[3-[4-(1-methylethyl)phenoxy]-2-oxo-1-pyrrolidinyl]-, Benzoic acid,3-[3-[4-(1-methylethyl)phenoxy]-2-oxo-1-pyrrolidinyl]
| Molecular Formula | C20H21NO4 |
|---|---|
| Molecular Weight | 339.15 g/mol |
| LogP | 3.6925 |
| Topological Polar Surface Area | 66.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 339.14706 |
| Heavy Atoms | 25 |
| Complexity | 782.5381 |
Chemical Identifiers
| CAS Number | 649773-82-0 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)OC2CCN(C2=O)C3=CC=CC(=C3)C(=O)O |
Product Overview
3-(3-(4-Isopropylphenoxy)-2-oxopyrrolidin-1-yl)benzoic acid (CAS 649773-82-0), with molecular formula C20H21NO4 and molecular weight 339.15 g/mol. IUPAC: 3-[2-oxo-3-(4-propan-2-ylphenoxy)pyrrolidin-1-yl]benzoic acid.
Chemical Property Profile of 3-(3-(4-Isopropylphenoxy)-2-oxopyrrolidin-1-yl)benzoic acid
Property Insights of 3-(3-(4-Isopropylphenoxy)-2-oxopyrrolidin-1-yl)benzoic acid
The XLogP value of 3.6925 indicates that 3-(3-(4-Isopropylphenoxy)-2-oxopyrrolidin-1-yl)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.84 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-(4-Isopropylphenoxy)-2-oxopyrrolidin-1-yl)benzoic acid. Following Lipinski's Rule of Five, 3-(3-(4-Isopropylphenoxy)-2-oxopyrrolidin-1-yl)benzoic acid has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(3-(4-Isopropylphenoxy)-2-oxopyrrolidin-1-yl)benzoic acid?
The CAS number of 3-(3-(4-Isopropylphenoxy)-2-oxopyrrolidin-1-yl)benzoic acid is 649773-82-0.
What is the molecular formula of 3-(3-(4-Isopropylphenoxy)-2-oxopyrrolidin-1-yl)benzoic acid?
The molecular formula of 3-(3-(4-Isopropylphenoxy)-2-oxopyrrolidin-1-yl)benzoic acid is C20H21NO4.
What is the molecular weight of 3-(3-(4-Isopropylphenoxy)-2-oxopyrrolidin-1-yl)benzoic acid?
The molecular weight of 3-(3-(4-Isopropylphenoxy)-2-oxopyrrolidin-1-yl)benzoic acid is 339.15 g/mol.
Where can I buy 3-(3-(4-Isopropylphenoxy)-2-oxopyrrolidin-1-yl)benzoic acid?
You can request a quote for 3-(3-(4-Isopropylphenoxy)-2-oxopyrrolidin-1-yl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-(4-Isopropylphenoxy)-2-oxopyrrolidin-1-yl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-(4-Isopropylphenoxy)-2-oxopyrrolidin-1-yl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.